Cas no 3415-71-2 ([3-butanoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl Butanoate)

[3-butanoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl Butanoate structure
3415-71-2 structure
Product Name:[3-butanoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl Butanoate
CAS No:3415-71-2
MF:C18H26N2O7
MW:382.408245563507
CID:1462088
PubChem ID:254420
Update Time:2025-04-20

[3-butanoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl Butanoate Chemical and Physical Properties

Names and Identifiers

    • [3-butanoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl Butanoate
    • 1-(3,5-di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione
    • NSC78788
    • AC1L5Q6B
    • AC1Q69GK
    • CTK1C4900
    • KST-1B3370
    • AR-1B1303
    • NSC-78788
    • AG-J-97282
    • 1-(3,5-di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione; NSC78788; AC1L5Q6B; AC1Q69GK; CTK1C4900; KST-1B3370; AR-1B1303; NSC-78788; AG-J-97282;
    • 3415-71-2
    • DTXSID70291867
    • Inchi： 1S/C18H26N2O7/c1-4-6-15(21)25-10-13-12(27-16(22)7-5-2)8-14(26-13)20-9-11(3)17(23)19-18(20)24/h9,12-14H,4-8,10H2,1-3H3,(H,19,23,24)
    • InChI Key： MPEMIOZQASDBPA-UHFFFAOYSA-N
    • SMILES： O1C(CC(C1COC(CCC)=O)OC(CCC)=O)N1C(NC(C(C)=C1)=O)=O

Computed Properties

  • Exact Mass: 382.17408
  • Monoisotopic Mass: 382.174
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 10
  • Complexity: 631
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 111?2

Experimental Properties

  • Density: 1.26
  • Refractive Index: 1.535
  • PSA: 111.24
  • LogP: 1.18770

[3-butanoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl Butanoate Related Literature

3415-71-2 ([3-butanoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl Butanoate) Related Products

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